5-fluoro-1-propan-2-ylcycloheptene

C10H17F — CID 170182234

IUPAC5-fluoro-1-propan-2-ylcycloheptene
SMILESCC(C)C1=CCCC(F)CC1
InChIInChI=1S/C10H17F/c1-8(2)9-4-3-5-10(11)7-6-9/h4,8,10H,3,5-7H2,1-2H3
InChIKeyFFGFJXWINGEBPM-UHFFFAOYSA-N
MW156.24 g/mol
LogP3.48
Rot. Bonds1

About 5-fluoro-1-propan-2-ylcycloheptene

5-fluoro-1-propan-2-ylcycloheptene (PubChem CID 170182234) has the molecular formula C10H17F and a molecular weight of 156.24 g/mol. Its IUPAC name is 5-fluoro-1-propan-2-ylcycloheptene.

Molecular Properties

Compound Name5-fluoro-1-propan-2-ylcycloheptene
PubChem CID170182234
Molecular FormulaC10H17F
Molecular Weight156.24 g/mol
Exact Mass156.13
IUPAC Name5-fluoro-1-propan-2-ylcycloheptene
SMILESCC(C)C1=CCCC(F)CC1
InChIInChI=1S/C10H17F/c1-8(2)9-4-3-5-10(11)7-6-9/h4,8,10H,3,5-7H2,1-2H3
InChIKeyFFGFJXWINGEBPM-UHFFFAOYSA-N
XLogP3.48
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.24
LogP ≤ 53.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-1-propan-2-ylcycloheptene?
The IUPAC name of 5-fluoro-1-propan-2-ylcycloheptene (CID 170182234) is 5-fluoro-1-propan-2-ylcycloheptene.
What is the SMILES notation for 5-fluoro-1-propan-2-ylcycloheptene?
The canonical SMILES for 5-fluoro-1-propan-2-ylcycloheptene is CC(C)C1=CCCC(F)CC1.
What is the InChIKey of 5-fluoro-1-propan-2-ylcycloheptene?
The InChIKey is FFGFJXWINGEBPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17F/c1-8(2)9-4-3-5-10(11)7-6-9/h4,8,10H,3,5-7H2,1-2H3.
What are the key properties of 5-fluoro-1-propan-2-ylcycloheptene?
5-fluoro-1-propan-2-ylcycloheptene has a molecular weight of 156.24 g/mol, XLogP of 3.48, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-1-propan-2-ylcycloheptene is sourced from PubChem (CID 170182234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).